Predicted protein targets (top 1)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL6849346 | 0.65 | CYP2C19 (0.54) | CYP2C19 | |
| SCHEMBL30499369 | 0.63 | — | — | |
| SCHEMBL2602140 | 0.62 | CYP2C19 (0.50) | CYP2C19 | |
| SCHEMBL74883 | 0.60 | TSHR (0.39) | — | |
| SCHEMBL10455724 | 0.59 | CYP2C19 (0.47) | CYP2C19 | |
| SCHEMBL29046149 | 0.59 | CYP2C19 (0.47) | CYP2C19 | |
| SCHEMBL30965228 | 0.55 | TSHR (0.33) | — | |
| SCHEMBL28436924 | 0.54 | ERBB2 (0.54) | — | |
| SCHEMBL1100011 | 0.54 | — | — | |
| SCHEMBL10601626 | 0.54 | CYP2C19 (0.55) | CYP2C19 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8163944-B2 | Allylic oxidations catalyzed by dirhodium catalysts under aqueous conditions | UNIVERSITY OF MARYLAND COLLEGE PARK (US) | 2012-04-24 | — | — | US | disclosed |